SCHEMBL16455227

SCHEMBL16455227

CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(C)=O

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 3/20 0.55
▸ CTSS P25774 3/20 0.55
▸ CTSK P43235 3/20 0.55
▸ CTSH P09668 1/20 0.55
▸ MC4R P32245 1/20 0.54
▸ MC5R P33032 1/20 0.54
▸ MC3R P41968 1/20 0.54
▸ MC1R Q01726 1/20 0.54
▸ IL23R Q5VWK5 4/20 0.53
▸ PTH1R Q03431 2/20 0.53
▸ C5AR1 P21730 1/20 0.53
▸ KEAP1 Q14145 1/20 0.53
▸ KISS1R Q969F8 1/20 0.53
▸ CCKBR P32239 4/20 0.52
▸ GLP1R P43220 2/20 0.52

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29973199 0.97 CTSL (0.54) CTSLCTSSCTSKCTSHMC4R
SCHEMBL9347526 0.91 CTSL (0.54) CTSLCTSSCTSKCTSHMC4R
SCHEMBL29973495 0.89 CTSL (0.56) CTSLCTSSCTSKCTSHMC4R
SCHEMBL31501133 0.86 C5AR1 (0.53) CTSLCTSSCTSKCTSHC5AR1
SCHEMBL29641069 0.85 IL23R (0.58) CTSLCTSSCTSKCTSHIL23R
SCHEMBL29410268 0.85 IL23R (0.62) IL23RPTH1RC5AR1KEAP1CCKBR
SCHEMBL30037155 0.85 IL23R (0.62) IL23RPTH1RC5AR1KEAP1CCKBR
SCHEMBL29389186 0.85 IL23R (0.62) IL23RPTH1RC5AR1KEAP1CCKBR
SCHEMBL10419744 0.84 C5AR1 (0.51) CTSLCTSSCTSKCTSHMC4R
SCHEMBL29540499 0.84 C5AR1 (0.58) IL23RC5AR1KISS1RGLP1R

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9458449-B2 Hybrid polymers, pharmaceutical compositions and methods of synthesizing the same NEW YORK UNIVERSITY (US) 2016-10-04 — — US disclosed
US-20150044189-A1 HYBRID POLYMERS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF SYNTHESIZING THE SAME NEW YORK UNIVERSITY 2015-02-12 — — US disclosed
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